tert-butyl 4-[4-[[5-aminocarbonyl-4-[(phenylmethyl)amino]pyrimidin-2-yl]amino]phenyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[[5-aminocarbonyl-4-[(phenylmethyl)amino]pyrimidin-2-yl]amino]phenyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[[4-(benzylamino)-5-carbamoyl-pyrimidin-2-yl]amino]phenyl]piperidine-1-carboxylate CAS Name: 4-[4-[[5-carbamoyl-4-[(phenylmethyl)amino]-2-pyrimidinyl]amino]phenyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[[4-(benzylamino)-5-carbamoylpyrimidin-2-yl]amino]phenyl]piperidine-1-carboxylate Traditional Name: 4-[4-[[4-(benzylamino)-5-carbamoyl-pyrimidin-2-yl]amino]phenyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H34N6O3 MolecularWeight: 502.60796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NCC4=CC=CC=C4)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NCC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C28H34N6O3/c1-28(2,3)37-27(36)34-15-13-21(14-16-34)20-9-11-22(12-10-20)32-26-31-18-23(24(29)35)25(33-26)30-17-19-7-5-4-6-8-19/h4-12,18,21H,13-17H2,1-3H3,(H2,29,35)(H2,30,31,32,33)